1-butyl-4-hexoxy-7-nitro-3-octoxy-quinolin-2-one

Systemtic Name: 1-butyl-4-hexoxy-7-nitro-3-octoxy-quinolin-2-one Openeye Name: 1-butyl-4-hexoxy-7-nitro-3-octoxy-quinolin-2-one CAS Name: 1-butyl-4-hexoxy-7-nitro-3-octoxy-2-quinolinone IUPAC Name: 1-butyl-4-hexoxy-7-nitro-3-octoxyquinolin-2-one Traditional Name: 1-butyl-4-hexoxy-7-nitro-3-octoxy-carbostyril Formula: C27H42N2O5 MolecularWeight: 474.63278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])N(C1=O)CCCC)OCCCCCC

Isomeric SMILES

CCCCCCCCOC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])N(C1=O)CCCC)OCCCCCC

InChI

InChI=1S/C27H42N2O5/c1-4-7-10-12-13-15-20-34-26-25(33-19-14-11-8-5-2)23-17-16-22(29(31)32)21-24(23)28(27(26)30)18-9-6-3/h16-17,21H,4-15,18-20H2,1-3H3